2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate

C22H37NO4 — CID 67186562

IUPAC2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C(=O)OC(C)(C)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H37NO4/c1-7-20(3,4)26-18(24)23(19(25)27-21(5,6)8-2)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-17H,7-14H2,1-6H3
InChIKeyUJSQQKFZNJZVSV-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.91
Rot. Bonds5

About 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate

2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate (PubChem CID 67186562) has the molecular formula C22H37NO4 and a molecular weight of 379.54 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
PubChem CID67186562
Molecular FormulaC22H37NO4
Molecular Weight379.54 g/mol
Exact Mass379.27
IUPAC Name2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate
SMILESCCC(C)(C)OC(=O)N(C(=O)OC(C)(C)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H37NO4/c1-7-20(3,4)26-18(24)23(19(25)27-21(5,6)8-2)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-17H,7-14H2,1-6H3
InChIKeyUJSQQKFZNJZVSV-UHFFFAOYSA-N
XLogP5.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The IUPAC name of 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate (CID 67186562) is 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate is CCC(C)(C)OC(=O)N(C(=O)OC(C)(C)CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
The InChIKey is UJSQQKFZNJZVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO4/c1-7-20(3,4)26-18(24)23(19(25)27-21(5,6)8-2)22-12-15-9-16(13-22)11-17(10-15)14-22/h15-17H,7-14H2,1-6H3.
What are the key properties of 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate?
2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate has a molecular weight of 379.54 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-(1-adamantyl)-N-(2-methylbutan-2-yloxycarbonyl)carbamate is sourced from PubChem (CID 67186562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).